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Merge pull request #2567 from stanmoore1/auto_sync

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Fix sync/modify issue in Kokkos atom_vec
This commit is contained in:
Axel Kohlmeyer
2021-01-29 08:33:29 -05:00
committed by GitHub
parent a77bb30730 b2d5c32cba
commit 9f8857cd47
1 changed files with 32 additions and 32 deletions
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64
src/KOKKOS/atom_vec_kokkos.cpp
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@ -113,7 +113,7 @@ int AtomVecKokkos::pack_comm_kokkos(const int &n,
// Choose correct forward PackComm kernel
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK);
atomKK->sync(Host,X_MASK);
if (pbc_flag) {
if (domain->triclinic) {
struct AtomVecKokkos_PackComm<LMPHostType,1,1> f(atomKK->k_x,buf,list,iswap,
@ -140,7 +140,7 @@ int AtomVecKokkos::pack_comm_kokkos(const int &n,
}
}
} else {
sync(Device,X_MASK);
atomKK->sync(Device,X_MASK);
if (pbc_flag) {
if (domain->triclinic) {
struct AtomVecKokkos_PackComm<LMPDeviceType,1,1> f(atomKK->k_x,buf,list,iswap,
@ -226,8 +226,8 @@ struct AtomVecKokkos_PackCommSelf {
int AtomVecKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list, const int & iswap,
const int nfirst, const int &pbc_flag, const int* const pbc) {
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK);
modified(Host,X_MASK);
atomKK->sync(Host,X_MASK);
atomKK->modified(Host,X_MASK);
if (pbc_flag) {
if (domain->triclinic) {
struct AtomVecKokkos_PackCommSelf<LMPHostType,1,1> f(atomKK->k_x,nfirst,list,iswap,
@ -254,8 +254,8 @@ int AtomVecKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list, c
}
}
} else {
sync(Device,X_MASK);
modified(Device,X_MASK);
atomKK->sync(Device,X_MASK);
atomKK->modified(Device,X_MASK);
if (pbc_flag) {
if (domain->triclinic) {
struct AtomVecKokkos_PackCommSelf<LMPDeviceType,1,1> f(atomKK->k_x,nfirst,list,iswap,
@ -362,8 +362,8 @@ int AtomVecKokkos::pack_comm_self_fused(const int &n, const DAT::tdual_int_2d &l
const DAT::tdual_int_1d &firstrecv, const DAT::tdual_int_1d &pbc_flag, const DAT::tdual_int_2d &pbc,
const DAT::tdual_int_1d &g2l) {
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK);
modified(Host,X_MASK);
atomKK->sync(Host,X_MASK);
atomKK->modified(Host,X_MASK);
if (domain->triclinic) {
struct AtomVecKokkos_PackCommSelfFused<LMPHostType,1> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
domain->xprd,domain->yprd,domain->zprd,
@ -376,8 +376,8 @@ int AtomVecKokkos::pack_comm_self_fused(const int &n, const DAT::tdual_int_2d &l
Kokkos::parallel_for(n,f);
}
} else {
sync(Device,X_MASK);
modified(Device,X_MASK);
atomKK->sync(Device,X_MASK);
atomKK->modified(Device,X_MASK);
if (domain->triclinic) {
struct AtomVecKokkos_PackCommSelfFused<LMPDeviceType,1> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
domain->xprd,domain->yprd,domain->zprd,
@ -422,13 +422,13 @@ struct AtomVecKokkos_UnpackComm {
void AtomVecKokkos::unpack_comm_kokkos(const int &n, const int &first,
const DAT::tdual_xfloat_2d &buf) {
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK);
modified(Host,X_MASK);
atomKK->sync(Host,X_MASK);
atomKK->modified(Host,X_MASK);
struct AtomVecKokkos_UnpackComm<LMPHostType> f(atomKK->k_x,buf,first);
Kokkos::parallel_for(n,f);
} else {
sync(Device,X_MASK);
modified(Device,X_MASK);
atomKK->sync(Device,X_MASK);
atomKK->modified(Device,X_MASK);
struct AtomVecKokkos_UnpackComm<LMPDeviceType> f(atomKK->k_x,buf,first);
Kokkos::parallel_for(n,f);
}
@ -531,7 +531,7 @@ int AtomVecKokkos::pack_comm_vel_kokkos(
const int* const pbc)
{
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK|V_MASK);
atomKK->sync(Host,X_MASK|V_MASK);
if (pbc_flag) {
if (deform_vremap) {
if (domain->triclinic) {
@ -590,7 +590,7 @@ int AtomVecKokkos::pack_comm_vel_kokkos(
}
}
} else {
sync(Device,X_MASK|V_MASK);
atomKK->sync(Device,X_MASK|V_MASK);
if (pbc_flag) {
if (deform_vremap) {
if (domain->triclinic) {
@ -693,13 +693,13 @@ struct AtomVecKokkos_UnpackCommVel {
void AtomVecKokkos::unpack_comm_vel_kokkos(const int &n, const int &first,
const DAT::tdual_xfloat_2d &buf) {
if (commKK->forward_comm_on_host) {
sync(Host,X_MASK|V_MASK);
modified(Host,X_MASK|V_MASK);
atomKK->sync(Host,X_MASK|V_MASK);
atomKK->modified(Host,X_MASK|V_MASK);
struct AtomVecKokkos_UnpackCommVel<LMPHostType> f(atomKK->k_x,atomKK->k_v,buf,first);
Kokkos::parallel_for(n,f);
} else {
sync(Device,X_MASK|V_MASK);
modified(Device,X_MASK|V_MASK);
atomKK->sync(Device,X_MASK|V_MASK);
atomKK->modified(Device,X_MASK|V_MASK);
struct AtomVecKokkos_UnpackCommVel<LMPDeviceType> f(atomKK->k_x,atomKK->k_v,buf,first);
Kokkos::parallel_for(n,f);
}
@ -866,11 +866,11 @@ struct AtomVecKokkos_PackReverse {
int AtomVecKokkos::pack_reverse_kokkos(const int &n, const int &first,
const DAT::tdual_ffloat_2d &buf) {
if (commKK->reverse_comm_on_host) {
sync(Host,F_MASK);
atomKK->sync(Host,F_MASK);
struct AtomVecKokkos_PackReverse<LMPHostType> f(atomKK->k_f,buf,first);
Kokkos::parallel_for(n,f);
} else {
sync(Device,F_MASK);
atomKK->sync(Device,F_MASK);
struct AtomVecKokkos_PackReverse<LMPDeviceType> f(atomKK->k_f,buf,first);
Kokkos::parallel_for(n,f);
}
@ -912,15 +912,15 @@ struct AtomVecKokkos_UnPackReverseSelf {
int AtomVecKokkos::unpack_reverse_self(const int &n, const DAT::tdual_int_2d &list, const int & iswap,
const int nfirst) {
if (commKK->reverse_comm_on_host) {
sync(Host,F_MASK);
atomKK->sync(Host,F_MASK);
struct AtomVecKokkos_UnPackReverseSelf<LMPHostType> f(atomKK->k_f,nfirst,list,iswap);
Kokkos::parallel_for(n,f);
modified(Host,F_MASK);
atomKK->modified(Host,F_MASK);
} else {
sync(Device,F_MASK);
atomKK->sync(Device,F_MASK);
struct AtomVecKokkos_UnPackReverseSelf<LMPDeviceType> f(atomKK->k_f,nfirst,list,iswap);
Kokkos::parallel_for(n,f);
modified(Device,F_MASK);
atomKK->modified(Device,F_MASK);
}
return n*3;
}
@ -969,11 +969,11 @@ void AtomVecKokkos::unpack_reverse_kokkos(const int &n,
if (commKK->reverse_comm_on_host) {
struct AtomVecKokkos_UnPackReverse<LMPHostType> f(atomKK->k_f,buf,list,iswap);
Kokkos::parallel_for(n,f);
modified(Host,F_MASK);
atomKK->modified(Host,F_MASK);
} else {
struct AtomVecKokkos_UnPackReverse<LMPDeviceType> f(atomKK->k_f,buf,list,iswap);
Kokkos::parallel_for(n,f);
modified(Device,F_MASK);
atomKK->modified(Device,F_MASK);
}
}
@ -982,7 +982,7 @@ void AtomVecKokkos::unpack_reverse_kokkos(const int &n,
int AtomVecKokkos::pack_reverse(int n, int first, double *buf)
{
if (n > 0)
sync(Host,F_MASK);
atomKK->sync(Host,F_MASK);
int m = 0;
const int last = first + n;
@ -1008,7 +1008,7 @@ void AtomVecKokkos::unpack_reverse(int n, int *list, double *buf)
}
if (n > 0)
modified(Host,F_MASK);
atomKK->modified(Host,F_MASK);
}
/* ----------------------------------------------------------------------
@ -1022,7 +1022,7 @@ void AtomVecKokkos::data_vel(int m, char **values)
v[m][1] = utils::numeric(FLERR,values[1],true,lmp);
v[m][2] = utils::numeric(FLERR,values[2],true,lmp);
modified(Host,V_MASK);
atomKK->modified(Host,V_MASK);
}
/* ----------------------------------------------------------------------
@ -1035,7 +1035,7 @@ void AtomVecKokkos::pack_vel(double **buf)
tagint *tag = atom->tag;
int nlocal = atom->nlocal;
sync(Host,V_MASK|TAG_MASK);
atomKK->sync(Host,V_MASK|TAG_MASK);
for (int i = 0; i < nlocal; i++) {
buf[i][0] = ubuf(tag[i]).d;